SCHEMBL3877161

SCHEMBL3877161

COc1ccc(N)cc1NS(=O)(=O)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
MAPK1 P28482 1/20 0.42
PTK2B Q14289 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.41
MEN1 O00255 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3241465 0.82 BRD4 (0.54) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL8697280 0.78 ALDH1A1 (0.46) MAPTALDH1A1MAPK1TSHRKMT2A
SCHEMBL3879925 0.77 ALDH1A1 (0.47) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL14395958 0.77 SRC (0.43) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL23229428 0.74 ALDH1A1 (0.64) MAPTTP53ALDH1A1KDM4EMAPK1
SCHEMBL2983501 0.74 GHSR (0.57) MAPTTP53ALDH1A1MAPK1LMNA
SCHEMBL8013885 0.74 TP53 (0.54) GAAMAPTTP53ALDH1A1LMNA
SCHEMBL5223314 0.73 ALDH1A1 (0.47) GAAMAPTALDH1A1KDM4EUSP2
SCHEMBL1786119 0.72 TSHR (0.51) GAAMAPTALDH1A1KDM4EUSP2
SCHEMBL11344842 0.72 MAPT (0.52) GAAMAPTALDH1A1KDM4EUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010482-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-07 EP disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847528-A1 Coupling compounds and hair dyeing compositions containing them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed